3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide

C13H16N2O2 — CID 166383618

IUPAC3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCC#N)cc1
InChIInChI=1S/C13H16N2O2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChIKeyRYMWJSBPFLUCOE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.18
Rot. Bonds5

About 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide

3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 166383618) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID166383618
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCC#N)cc1
InChIInChI=1S/C13H16N2O2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChIKeyRYMWJSBPFLUCOE-UHFFFAOYSA-N
XLogP2.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide (CID 166383618) is 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)CCC#N)cc1.
What is the InChIKey of 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is RYMWJSBPFLUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(15-13(16)4-3-9-14)11-5-7-12(17-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide?
3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 232.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 166383618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).